2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide

C24H19FN4O3S2 — CID 27067841

About 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide

2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 27067841) has the molecular formula C24H19FN4O3S2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
• PubChem CID: 27067841
• Molecular Formula: C24H19FN4O3S2
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.09
• IUPAC Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
• SMILES: COc1cc2c(cc1NC(=O)CSc1nnc(NCc3ccc(F)cc3)s1)oc1ccccc12
• InChI: InChI=1S/C24H19FN4O3S2/c1-31-21-10-17-16-4-2-3-5-19(16)32-20(17)11-18(21)27-22(30)13-33-24-29-28-23(34-24)26-12-14-6-8-15(25)9-7-14/h2-11H,12-13H2,1H3,(H,26,28)(H,27,30)
• InChIKey: YJUHIQXLHNJMFU-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide?

The IUPAC name of 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 27067841) is 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide.

What is the SMILES notation for 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide?

The canonical SMILES for 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CSc1nnc(NCc3ccc(F)cc3)s1)oc1ccccc12.

What is the InChIKey of 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide?

The InChIKey is YJUHIQXLHNJMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S2/c1-31-21-10-17-16-4-2-3-5-19(16)32-20(17)11-18(21)27-22(30)13-33-24-29-28-23(34-24)26-12-14-6-8-15(25)9-7-14/h2-11H,12-13H2,1H3,(H,26,28)(H,27,30).

What are the key properties of 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide?

2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 494.57 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 27067841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).